Structure of PDB 2flq Chain B Binding Site BS01

Receptor Information

>2flq Chain B (length=358) Species: 1422 (Geobacillus stearothermophilus)

QHDEQLMTKAEQFIIASYRELGKSEQEIKRRVNEIRWEVEQTGTYRHTYE
ELSYGAKMAWRHSNRCIGRLFWQSLHVIDAREAVTEEEVFSYLFHHIEVA
TNGGKIRPTITIFRPNGEVRIWNHQLIRYAGYETEEGIIGDSSSLTFTRA
CEQLGWKGEKTPFDVLPLVIQVGGQKPVWTPIPKELVLEVPIEHPEFPWF
RDLQLKWYAVPIISDMCLEIGGIRYMAAPFNGWYMGTEIGARNFADDYRY
NMLPKVASCMGLDTNSNASLWKDKALVELNIAVLYSYKKAGVSIVDHHTA
ARQFQLFEQQEKAAGRHVTGDWTWLIPPLSPATTHIFHRSYDNTMMLPNF
FYQDRPYE

Ligand information

• Ligand ID: ARG
• InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
• InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[C@@H](CCCNC(N)=[NH2+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[CH](CCCNC(N)=[NH2+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCN\C(=[NH2+])N
• Formula: C6 H15 N4 O2
• Name: ARGININE
• PDB chain: 2flq Chain B Residue 376

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2flq Structure and Reactivity of a Thermostable Prokaryotic Nitric-oxide Synthase That Forms a Long-lived Oxy-Heme Complex.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): Q135 P221 I223 Y244 E248 N253
• Binding residue (residue number reindexed from 1): Q125 P211 I213 Y234 E238 N243
• Annotation score: 5

Enzymatic activity

• Catalytic site (original residue number in PDB): C76 R79 W243 E248
• Catalytic site (residue number reindexed from 1): C66 R69 W233 E238
• Enzyme Commision number: 1.14.13.39: nitric-oxide synthase (NADPH).

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity
• GO:0020037 heme binding

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:2flq, PDBe:2flq, PDBj:2flq
• PDBsum: 2flq
• PubMed: 16407211
• UniProt: Q5KZC5